SCHEMBL6872050

SCHEMBL6872050

NC(=O)Oc1cccc2[nH]c(C3CNCCN3)nc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.70
PARP2 Q9UGN5 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6869338 0.85 PARP1 (0.69) PARP1PARP2
SCHEMBL6869625 0.83 PARP1 (0.69) PARP1PARP2
SCHEMBL5621707 0.82 PARP1 (1.00) PARP1PARP2
Hydrochloric Acid SCHEMBL18614370 0.81 PARP1 (0.98) PARP1PARP2
SCHEMBL6864453 0.81 PARP1 (0.71) PARP1PARP2
SCHEMBL6872238 0.80 PARP1 (0.68) PARP1PARP2
SCHEMBL7042121 0.79 PARP1 (0.50) PARP1PARP2
SCHEMBL1298103 0.79 PARP1 (0.80) PARP1PARP2
SCHEMBL7046673 0.78 PARP1 (0.48) PARP1PARP2
SCHEMBL7043962 0.76 PARP1 (0.47) PARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed